3-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-ethyl-3-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-ethyl-3-[(2-indolin-1-yl-2-keto-ethyl)thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)N3CCC4=CC=CC=C43)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)N3CCC4=CC=CC=C43)C#N

InChI

InChI=1S/C22H23N3OS/c1-2-19-17-9-5-4-8-16(17)18(13-23)22(24-19)27-14-21(26)25-12-11-15-7-3-6-10-20(15)25/h3,6-7,10H,2,4-5,8-9,11-12,14H2,1H3